scholarly journals Development of Attenuated Total Reflectance Mid-Infrared (ATR-MIR) and Near-Infrared (NIR) Spectroscopy for the Determination of Resistant Starch Content in Wheat Grains

2021 ◽  
Vol 2021 ◽  
pp. 1-9
Author(s):  
Rong Wang ◽  
Xia Wei ◽  
Hongpan Wang ◽  
Linshu Zhao ◽  
Cengli Zeng ◽  
...  
Keyword(s):  
Resistant Starch ◽  
Near Infrared ◽  
Coefficient Of Determination ◽  
Attenuated Total Reflectance ◽  
Calibration Model ◽  
Mid Infrared ◽  
Total Reflectance ◽  
Mir Spectroscopy ◽  
Calibration Models

The chemical method for the determination of the resistant starch (RS) content in grains is time-consuming and labor intensive. Near-infrared (NIR) and attenuated total reflectance mid-infrared (ATR-MIR) spectroscopy are rapid and nondestructive analytical techniques for determining grain quality. This study was the first report to establish and compare these two spectroscopic techniques for determining the RS content in wheat grains. Calibration models with four preprocessing techniques based on the partial least squares (PLS) algorithm were built. In the NIR technique, the mean normalization + Savitzky–Golay smoothing (MN + SGS) preprocessing technique had a higher coefficient of determination ( R c 2  = 0.672; R p 2  = 0.552) and a relative lower root mean square error value (RMSEC = 0.385; RMSEP = 0.459). In the ATR-MIR technique, the baseline preprocessing method exhibited a better performance regarding to the values of coefficient of determination ( R c 2  = 0.927; R p 2  = 0.828) and mean square error value (RMSEC = 0.153; RMSEP = 0.284). The validation of the developed best NIR and ATR-MIR calibration models showed that the ATR-MIR best calibration model has a better RS prediction ability than the NIR best calibration model. Two high grain RS content wheat mutants were screened out by the ATR-MIR best calibration model from the wheat mutant library. There was no significant difference between the predicted values and chemical measured values in the two high RS content mutants. It proved that the ATR-MIR model can be a perfect substitute in RS measuring. All the results indicated that the ATR-MIR spectroscopy with improved screening efficiency can be used as a fast, rapid, and nondestructive method in high grain RS content wheat breeding.

scholarly journals Comparison of Attenuated Total Reflectance Mid-Infrared, Near Infrared, and 1H-Nuclear Magnetic Resonance Spectroscopies for the Determination of Coffee’s Geographical Origin

2017 ◽  
Vol 2017 ◽  
pp. 1-8 ◽  
Author(s):  
Jessica Medina ◽  
Diana Caro Rodríguez ◽  
Victoria A. Arana ◽  
Andrés Bernal ◽  
Pierre Esseiva ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Near Infrared ◽  
Geographical Origin ◽  
Fraud Detection ◽  
Attenuated Total Reflectance ◽  
Mid Infrared ◽  
Total Reflectance ◽  
H Nmr

The sensorial properties of Colombian coffee are renowned worldwide, which is reflected in its market value. This raises the threat of fraud by adulteration using coffee grains from other countries, thus creating a demand for robust and cost-effective methods for the determination of geographical origin of coffee samples. Spectroscopic techniques such as Nuclear Magnetic Resonance (NMR), near infrared (NIR), and mid-infrared (mIR) have arisen as strong candidates for the task. Although a body of work exists that reports on their individual performances, a faithful comparison has not been established yet. We evaluated the performance of 1H-NMR, Attenuated Total Reflectance mIR (ATR-mIR), and NIR applied to fraud detection in Colombian coffee. For each technique, we built classification models for discrimination by species (C. arabica versus C. canephora (or robusta)) and by origin (Colombia versus other C. arabica) using a common set of coffee samples. All techniques successfully discriminated samples by species, as expected. Regarding origin determination, ATR-mIR and 1H-NMR showed comparable capacity to discriminate Colombian coffee samples, while NIR fell short by comparison. In conclusion, ATR-mIR, a less common technique in the field of coffee adulteration and fraud detection, emerges as a strong candidate, faster and with lower cost compared to 1H-NMR and more discriminating compared to NIR.

scholarly journals Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey

2016 ◽  
Vol 2016 ◽  
pp. 1-14 ◽  
Author(s):  
Francisco Anguebes ◽  
Lucio Pat ◽  
Bassam Ali ◽  
Armando Guerrero ◽  
Atl V. Córdova ◽  
...  
Keyword(s):  
Cross Validation ◽  
External Validation ◽  
Coefficient Of Determination ◽  
Attenuated Total Reflectance ◽  
Infrared Spectrometry ◽  
Free Acidity ◽  
Fourier Transform Infrared Spectrometry ◽  
Total Reflectance ◽  
Calibration Models

Attenuated total reflectance-Fourier transform infrared spectrometry and chemometrics model was used for determination of physicochemical properties (pH, redox potential, free acidity, electrical conductivity, moisture, total soluble solids (TSS), ash, and HMF) in honey samples. The reference values of 189 honey samples of different botanical origin were determined using Association Official Analytical Chemists, (AOAC), 1990; Codex Alimentarius, 2001, International Honey Commission, 2002, methods. Multivariate calibration models were built using partial least squares (PLS) for the measurands studied. The developed models were validated using cross-validation and external validation; several statistical parameters were obtained to determine the robustness of the calibration models: (PCs) optimum number of components principal, (SECV) standard error of cross-validation, (R2cal) coefficient of determination of cross-validation, (SEP) standard error of validation, and (R2val) coefficient of determination for external validation and coefficient of variation (CV). The prediction accuracy for pH, redox potential, electrical conductivity, moisture, TSS, and ash was good, while for free acidity and HMF it was poor. The results demonstrate that attenuated total reflectance-Fourier transform infrared spectrometry is a valuable, rapid, and nondestructive tool for the quantification of physicochemical properties of honey.

scholarly journals Quantitative Analysis of Alcohol, Sugar, and Tartaric Acid in Alcoholic Beverages Using Attenuated Total Reflectance Spectroscopy

2006 ◽  
Vol 2006 ◽  
pp. 1-5 ◽  
Author(s):  
R. Nagarajan ◽  
A. Gupta ◽  
R. Mehrotra ◽  
M. M. Bajaj
Keyword(s):  
Chemical Analysis ◽  
Tartaric Acid ◽  
Wavelength Region ◽  
Alcoholic Beverages ◽  
Attenuated Total Reflectance ◽  
Calibration Model ◽  
Good Reliability ◽  
Mid Infrared ◽  
Total Reflectance ◽  
Mir Spectroscopy

Mid-infrared (MIR) spectroscopy in attenuated total reflectance (ATR) mode was used for quantifying ethanol, sucrose, and tartaric acid in alcoholic beverages. One hundred synthetic samples were prepared with different ethanol, sucrose, and tartaric acid concentrations. Experiments were carried out on Bio-Rad 175 C FTS using an ATR accessory. Spectra were recorded in the wavelength region 600–4000cm−1. Calibration was performed using partial least squares (PLS) algorithm. Commercially available alcoholic beverages (gin, rum, vodka, etc.) were experimented and concentration of ethanol in these samples was predicted using the developed calibration model. Chemical analysis of these commercial samples was carried out in order to compare the results. The agreement between ATR results with those of chemical analysis revealed good reliability and repeatability of the technique used.

scholarly journals Determination of glomalin in agriculture and forest soils by near-infrared spectroscopy

2017 ◽  
Vol 63 (No. 5) ◽  
pp. 226-230 ◽  
Author(s):  
Zbíral Jiří ◽  
Čižmár David ◽  
Malý Stanislav ◽  
Obdržálková Elena
Keyword(s):  
Infrared Spectroscopy ◽  
Near Infrared Spectroscopy ◽  
Forest Soils ◽  
Near Infrared ◽  
Arable Land ◽  
Calibration Model ◽  
Sustainable Land Management ◽  
Chemical Methods ◽  
Calibration Models

Determining and characterizing soil organic matter (SOM) cheaply and reliably can help to support decisions concerning sustainable land management and climate policy. Glomalin was recommended as one of possible indicators of SOM quality. Extracting glomalin from and determining it in soils using classical chemical methods is too complicated and therefore near-infrared spectroscopy (NIRS) was studied as a method of choice for the determination of glomalin. Representative sets of 84 different soil samples from arable land and grasslands and 75 forest soils were used to develop NIRS calibration models. The parameters of the NIRS calibration model (R = 0.90 for soils from arable land and grasslands and R = 0.94 for forest soils) proved that glomalin can be determined in air-dried soils by NIRS with adequate trueness and precision simultaneously with determination of nitrogen and oxidizable carbon.

Near-infrared and Mid-infrared Spectroscopic Techniques for a Fast and Nondestructive Quality Control of Thymi herba

Planta Medica ◽  
2017 ◽  
Vol 84 (06/07) ◽  
pp. 420-427 ◽  
Author(s):  
Cornelia Pezzei ◽  
Stefan Schönbichler ◽  
Shah Hussain ◽  
Christian Kirchler ◽  
Verena Huck-Pezzei ◽  
...  
Keyword(s):  
Antioxidant Capacity ◽  
Rosmarinic Acid ◽  
Near Infrared ◽  
Coefficient Of Determination ◽  
Attenuated Total Reflectance ◽  
Spectroscopic Techniques ◽  
Test Set ◽  
Mid Infrared ◽  
Capacity Coefficient ◽  
Infrared Spectroscopic

AbstractIn this study, novel near-infrared and attenuated total reflectance mid-infrared spectroscopic methods coupled with multivariate data analysis were established enabling the determination of thymol, rosmarinic acid, and the antioxidant capacity of Thymi herba. A new high-performance liquid chromatography method and UV-Vis spectroscopy were applied as reference methods. Partial least squares regressions were carried out as cross and test set validations. To reduce systematic errors, different data pretreatments, such as multiplicative scatter correction, 1st derivative, or 2nd derivative, were applied on the spectra. The performances of the two infrared spectroscopic techniques were evaluated and compared. In general, attenuated total reflectance mid-infrared spectroscopy demonstrated a slightly better predictive power (thymol: coefficient of determination = 0.93, factors = 3, ratio of performance to deviation = 3.94; rosmarinic acid: coefficient of determination = 0.91, factors = 3, ratio of performance to deviation = 3.35, antioxidant capacity: coefficient of determination = 0.87, factors = 2, ratio of performance to deviation = 2.80; test set validation) than near-infrared spectroscopy (thymol: coefficient of determination = 0.90, factors = 6, ratio of performance to deviation = 3.10; rosmarinic acid: coefficient of determination = 0.92, factors = 6, ratio of performance to deviation = 3.61, antioxidant capacity: coefficient of determination = 0.91, factors = 6, ratio of performance to deviation = 3.42; test set validation). The capability of infrared vibrational spectroscopy as a quick and simple analytical tool to replace conventional time and chemical consuming analyses for the quality control of T. herba could be demonstrated.

scholarly journals Development and validation of an environmentally friendly attenuated total reflectance in the mid-infrared region method for the determination of ethanol content in used engine lubrication oil

Talanta ◽  
2013 ◽  
Vol 109 ◽  
pp. 191-196 ◽  
Author(s):  
Rafael Rodrigues Hatanaka ◽  
Rodrigo Sequinel ◽  
Carlos Eduardo Gualtieri ◽  
Antônio Carlos Bergamaschi Tercini ◽  
Danilo Luiz Flumignan ◽  
...  
Keyword(s):  
Environmentally Friendly ◽  
Infrared Region ◽  
Attenuated Total Reflectance ◽  
Mid Infrared ◽  
Total Reflectance ◽  
Region Method ◽  
Ethanol Content ◽  
Lubrication Oil ◽  
Development And Validation

Feasibility study on the use of attenuated total reflectance MIR spectroscopy to measure the fructan content in barley

2014 ◽  
Vol 6 (19) ◽  
pp. 7710-7715 ◽  
Author(s):  
D. Cozzolino ◽  
S. Roumeliotis ◽  
J. Eglinton
Keyword(s):  
Feasibility Study ◽  
Attenuated Total Reflectance ◽  
Mid Infrared ◽  
Total Reflectance ◽  
Mir Spectroscopy

The aim of this study was to evaluate the feasibility of using attenuated total reflectance mid-infrared (ATR-MIR) spectroscopy to predict the fructan content in both barley and malt flour samples.

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